N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide

C13H12F3N5O — CID 67674477

IUPACN-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1cncc(C(=O)NC2CC2)n1
InChIInChI=1S/C13H12F3N5O/c1-21-10(4-11(20-21)13(14,15)16)8-5-17-6-9(19-8)12(22)18-7-2-3-7/h4-7H,2-3H2,1H3,(H,18,22)
InChIKeyVVEZDPYTFQRDTQ-UHFFFAOYSA-N
MW311.27 g/mol
LogP1.79
Rot. Bonds3

About N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide

N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide (PubChem CID 67674477) has the molecular formula C13H12F3N5O and a molecular weight of 311.27 g/mol. Its IUPAC name is N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide
PubChem CID67674477
Molecular FormulaC13H12F3N5O
Molecular Weight311.27 g/mol
Exact Mass311.10
IUPAC NameN-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1cncc(C(=O)NC2CC2)n1
InChIInChI=1S/C13H12F3N5O/c1-21-10(4-11(20-21)13(14,15)16)8-5-17-6-9(19-8)12(22)18-7-2-3-7/h4-7H,2-3H2,1H3,(H,18,22)
InChIKeyVVEZDPYTFQRDTQ-UHFFFAOYSA-N
XLogP1.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide (CID 67674477) is N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide is Cn1nc(C(F)(F)F)cc1-c1cncc(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide?
The InChIKey is VVEZDPYTFQRDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O/c1-21-10(4-11(20-21)13(14,15)16)8-5-17-6-9(19-8)12(22)18-7-2-3-7/h4-7H,2-3H2,1H3,(H,18,22).
What are the key properties of N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide?
N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide has a molecular weight of 311.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 67674477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).